5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C11H17N5S2 — CID 103360334

IUPAC5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCCCn1ccnc1
InChIInChI=1S/C11H17N5S2/c1-17-9-10(12)15-18-11(9)14-4-2-3-6-16-7-5-13-8-16/h5,7-8,14H,2-4,6H2,1H3,(H2,12,15)
InChIKeyWEQWICKFPWYNMN-UHFFFAOYSA-N
MW283.43 g/mol
LogP2.54
Rot. Bonds7

About 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103360334) has the molecular formula C11H17N5S2 and a molecular weight of 283.43 g/mol. Its IUPAC name is 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103360334
Molecular FormulaC11H17N5S2
Molecular Weight283.43 g/mol
Exact Mass283.09
IUPAC Name5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCCCn1ccnc1
InChIInChI=1S/C11H17N5S2/c1-17-9-10(12)15-18-11(9)14-4-2-3-6-16-7-5-13-8-16/h5,7-8,14H,2-4,6H2,1H3,(H2,12,15)
InChIKeyWEQWICKFPWYNMN-UHFFFAOYSA-N
XLogP2.54
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382745
4-ethylsulfonyl-5-N-(4-imidazol-1-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360335
5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359501
ethyl 3-amino-5-(3-imidazol-1-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 103382747
5-N-[4-(dimethylamino)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360361
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
CID 103363776
3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65277183
4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103361244
6-chloro-N-(4-imidazol-1-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547015
4-imidazol-1-ylbutylhydrazine
CID 86114724
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103360334) is 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCCCCn1ccnc1.
What is the InChIKey of 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is WEQWICKFPWYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S2/c1-17-9-10(12)15-18-11(9)14-4-2-3-6-16-7-5-13-8-16/h5,7-8,14H,2-4,6H2,1H3,(H2,12,15).
What are the key properties of 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 283.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).